ethyl 4-aminobenzoate;hydrochloride

C9H12ClNO2 — CID 10214462

IUPACethyl 4-aminobenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2,10H2,1H3;1H
InChIKeyJAADDQHUJDUAKW-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.87
Rot. Bonds2

About ethyl 4-aminobenzoate;hydrochloride

ethyl 4-aminobenzoate;hydrochloride (PubChem CID 10214462) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is ethyl 4-aminobenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-aminobenzoate;hydrochloride
PubChem CID10214462
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Nameethyl 4-aminobenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2,10H2,1H3;1H
InChIKeyJAADDQHUJDUAKW-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminobenzoate;hydrochloride?
The IUPAC name of ethyl 4-aminobenzoate;hydrochloride (CID 10214462) is ethyl 4-aminobenzoate;hydrochloride.
What is the SMILES notation for ethyl 4-aminobenzoate;hydrochloride?
The canonical SMILES for ethyl 4-aminobenzoate;hydrochloride is CCOC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of ethyl 4-aminobenzoate;hydrochloride?
The InChIKey is JAADDQHUJDUAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2,10H2,1H3;1H.
What are the key properties of ethyl 4-aminobenzoate;hydrochloride?
ethyl 4-aminobenzoate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobenzoate;hydrochloride is sourced from PubChem (CID 10214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).